Thesis subjects 2018/19

Below are the thesis subjects for 2018-2019. Filter below on study programme and/or subject category. Press 'reset' to start over.

  1. 18SPEC02 / Spectroscopy
    Supervisor(s): V. Van Speybroeck, K. Lejaeghere / Counsellor(s): A.E.J. Hoffman, A. De Vos
    Perovskites are well-known minerals with an ABX3 stoichiometry. Named after the Russian mineralogist Lev Perovski, their orthorhombic crystal structure has already been identified in the early 20th century. Because of their strong coupling... Read more
  2. 18NANO14 / Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck, L. Vanduyfhuys / Counsellor(s): L. Vanduyfhuys, A. Lamaire
    Metal-Organic Frameworks (MOFs) are a class of hybrid nanoporous crystalline materials consisting of inorganic bricks connected to each other by means of organic linkers. Many of these MOFs possess a flexible framework that can transform between... Read more
  3. 18FUND02 / Many-particle physics
    Clusters: FUNDAMENTALS, MODELING
    Supervisor(s): D. Van Neck / Counsellor(s): C. Lanssens
    In quantum mechanics, any system can be described by the time-independent Schrödinger equation. However, this eigenvalue problem is only exaclty solvable for a few very specific systems like the hydrogen atom or the quantum harmonic oscillator. This... Read more
  4. 18NANO11 / Model and software development, Nanoporous materials - catalysis
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): V. Van Speybroeck / Counsellor(s): R. Demuynck, S.M.J. Rogge, L. Vanduyfhuys
    Nanoporous materials are omnipresent in a broad versatility of application domains such as energy storage, energy conversion, sustainable chemistry and biomedical applications. A special class of nanoporous materials are metal-organic frameworks (... Read more
  5. 18FUND03 / Many-particle physics
    Clusters: FUNDAMENTALS, MODELING
    Supervisor(s): D. Van Neck / Counsellor(s): K. Gunst
    A major unsolved challenge in theoretical physics concerns the description of quantum many-body systems, i.e. a large number of interacting particles that require a quantum mechanical treatment. The dimension of the linear space of quantum states... Read more
  6. 18MAT06 / Solid-state physics
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): S. Cottenier, T. Verstraelen / Counsellor(s): K. Lejaeghere, M. Sluydts, M. Larmuseau
    Since a long time, scientists classify crystals according to the way the atoms in the crystal are connected to each other: rocksalt has ionic bonds, crystalline silicon is covalent, plain iron has metallic bonds, and frozen argon is Van-der-Waals-... Read more
  7. 18SPEC04 / Solid-state physics, Spectroscopy
    Clusters: MODELING, MATERIALS, NANO, PHOTONICS
    Supervisor(s): K. Lejaeghere, P. Smet / Counsellor(s): A. De Vos, J. Joos
    Luminescent materials, also known as phosphors, have very interesting properties for a variety of applications. Traditional application domains are LED-based lighting and imaging, where the phosphors convert blue light into green, yellow or red... Read more
  8. 18SPEC01 / Spectroscopy
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck, H. Vrielinck / Counsellor(s): A.E.J. Hoffman
    In recent years, crystalline nanoporous materials such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) have been widely investigated for their potential use in various applications such as gas storage, gas separation,... Read more
  9. 18NANO17 / Nanoporous materials - catalysis
    Clusters: NANO
    Supervisor(s): V. Van Speybroeck / Counsellor(s): J. Wieme, S. Vandenbrande, S.M.J. Rogge
    The recent discovery of a new class of porous crystalline materials ushered in an intriguing new era in science. These materials – so-called metal-organic frameworks (MOFs) – can be synthesized with a large versatility and can be tuned easily, both... Read more
  10. 18NANO04 / Nanoporous materials - catalysis
    Supervisor(s): V. Van Speybroeck / Counsellor(s): J. Hajek, C. Caratelli
    There is a strong pressure on chemical industry to develop low waste routes, with a minimum number of process steps, for production of high value chemicals. An important reaction is the activation of C-H bonds giving access to synthesize natural... Read more
  11. 18MODEV02 / Model and software development
    Clusters: NANO, MODELLING
    Supervisor(s): A. Ghysels / Counsellor(s): O. De Vos
    This thesis will study mass transport in inhomogeneous and anisotropic media. In simple homogeneous media such as pure liquids, the diffusion constant D is obtained from the slope of the mean square distance (MSD) versus time (t), i.e. MSD=6Dt.... Read more
  12. 18MAT03 / Solid-state physics
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): S. Cottenier, L. Duprez / Counsellor(s): S. De Waele, K. Lejaeghere, E. Leunis
    Developing new steels is one of the most important driving forces for advancements in construction, medicine and the automotive industry. A promising approach is to add nitrogen. In conventional steel processing, nitrogen alloying is challenging due... Read more
  13. 18MODEV12 / Model and software development, Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck, L. Vanduyfhuys / Counsellor(s): L. Vanduyfhuys, R. Demuynck
    Gas adsorption in nanoporous materials gives rise to many promising applications such as natural gas storage, carbon capture, gas detection, … To investigate the adsorption behavior, one can experimentally measure the amount of adsorbed species as... Read more
  14. 18MODEV06 / Model and software development, Many-particle physics
    Clusters: MODELING, FUNDAMENTALS, NANO
    Supervisor(s): T. Verstraelen, D. Van Neck / Counsellor(s): K. Gunst
    The dispersion interaction is a weak (but omnipresent) force between molecules due to correlated zero-point motion of electrons in the different molecules. The classical example of dispersion forces in nature is the gecko climbing on smooth surfaces... Read more
  15. 18NANO07 / Nanoporous materials - catalysis
    Supervisor(s): V. Van Speybroeck / Counsellor(s): K. De Wispelaere, C. Caratelli
    Acidic zeolites are the work horses of today’s chemical industry. Brønsted acid sites are typically generated by substituting a framework Si atom by Al and compensating the resulting effective negative charge on the framework by a proton. Instead of... Read more
  16. 18MODEV05 / Solid-state physics, Model and software development
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): T. Verstraelen, S. Cottenier / Counsellor(s): M. Cools-Ceuppens, S. De Waele
    As electrons in matter obey the laws of quantum mechanics, one should in principle solve the Schrödinger equation when performing molecular simulations. On the nanoscale (tracking thousands of atoms during multiple nanoseconds) this is completely... Read more
  17. 18MODEV08 / Model and software development, Many-particle physics
    Clusters: NANO, MODELING
    Supervisor(s): T. Verstraelen / Counsellor(s): M. Cools-Ceuppens
    Many properties of molecules and materials can be computed and understood by directly solving the quantum-mechanical many-body problem of the electrons, which move in the Coulomb field generated by the nuclei, and possibly feel an additional... Read more
  18. 18NANO10 / Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck, T. Verstraelen / Counsellor(s): S.M.J. Rogge, J. Wieme
    Thanks to recent advances in computational techniques and the growing access to high-performance computing facilities, computationally-aided design of materials has entered a promising era with seemingly unlimited possibilities. The Center for... Read more
  19. 18NANO13 / Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): R. Demuynck, S.M.J. Rogge, S. Vandenbrande
    Nanoporous materials such as zeolites and metal-organic frameworks are attractive for a broad variety of industrial applications, ranging from chemical and physical sensing, over gas adsorption and separation, to heterogeneous catalysis. The... Read more
  20. 18NANO12 / Nanoporous materials - catalysis
    Clusters: NANO, MODELING, MATERIALS
    Supervisor(s): V. Van Speybroeck / Counsellor(s): K. Lejaeghere, S.M.J. Rogge
    Framework materials are not your everyday type of solids. They are entirely different from typical metals or ceramics, which all have one thing in common: at the atomic scale, they correspond to closely packed crystals. In contrast, framework... Read more
  21. 18MODEV09 / Model and software development
    Clusters: MODELING, FUNDAMENTALS, NANO
    Supervisor(s): T. Verstraelen / Counsellor(s): S. Vandenbrande
    Molecular dynamics simulations are used in many scientific domains to understand a system of interest at the atomic scale, e.g. "how does a drug molecule interact with an enzyme?" or "how is a gas adsorbed in a nanoporous material?" Such simulations... Read more
  22. 18NANO02 / Nanoporous materials - catalysis
    Supervisor(s): V. Van Speybroeck, K. De Wispelaere / Counsellor(s): S. Bailleul, J. Hajek
    Aromatics are ubiquitous in hydrocarbon chemistry in zeolites. During alcohol conversion into hydrocarbons they can play an active or deactivating role in the hydrocarbon pool mechanism and during the catalytic cracking of alkanes and alkenes they... Read more
  23. 18FUND01 / Many-particle physics
    Clusters: FUNDAMENTALS, MODELING
    Supervisor(s): D. Van Neck / Counsellor(s): C. Lanssens, P. Claeys
    One of the most intriguing phenomena in quantum many-particle physics is the appearance of strong quantum correlations and complexity. In these systems it's not just the interaction between single particles, but the synergy of all interactions... Read more
  24. 18NANO18 / Model and software development, Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S.M.J. Rogge, J. Wieme
    Crystalline, nanoporous materials such as metal-organic frameworks (MOFs) have been proposed for a variety of industrial applications, such as energy storage, gas separation, and the capture of greenhouse gases. These scaffold-like materials,... Read more
  25. 18NANO16 / Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S.M.J. Rogge, S. Borgmans
    Crystalline, nanoporous materials are inherently present in several day-to-day applications such as energy storage, gas separation, and heterogeneous catalysis. Their unique combination of long-range order and tunable pores makes these materials... Read more
  26. 18MAT01 / Solid-state physics
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): S. Cottenier, T. Verstraelen / Counsellor(s): M. Sluydts, M. Larmuseau
    Modern physical and chemical insights allow us to finetune the properties of materials with a level of control until recently thought impossible. This knowledge can even be used to design entirely new materials, capable of exhibiting highly exotic... Read more
  27. 18NANO19 / Nanoporous materials - catalysis
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): V. Van Speybroeck / Counsellor(s): K. Lejaeghere, J. Wieme
    Metal-organic frameworks (MOFs) are crystalline materials that consist of metal oxide clusters connected by organic linkers. This results in 1D, 2D or 3D repeated structures with large cavities, i.e. periodic porous structures. The pores allow... Read more
  28. 18NANO06 / Nanoporous materials - catalysis
    Supervisor(s): K. De Wispelaere / Counsellor(s): K. De Wispelaere
    A major challenge in chemical industry nowadays is the design of catalysts that efficiently produce ethene and propene without suffering from rapid deactivation and allowing an excellent control of product selectivity. Such developments are needed... Read more
  29. 18NANO15 / Nanoporous materials - catalysis
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): V. Van Speybroeck, K. Lejaeghere / Counsellor(s): L. Vanduyfhuys, J. Wieme, S. Borgmans
    In recent years, crystalline nanoporous materials have attracted much interest owing to their numerous applications, such as gas/liquid storage and separation, catalysis and drug delivery. One such class of materials are covalent organic frameworks... Read more
  30. 18MAT02 / Solid-state physics
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): K. Lejaeghere / Counsellor(s): K. Lejaeghere
    We are uniquely defined by our genome. Depending on the presence of different genes, it determines how we look and how we act. In the same way, materials are characterized by their electronic structure. The position of the electronic energy bands... Read more
  31. 18SPEC06 / Nanoporous materials - catalysis, Spectroscopy
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): K. De Wispelaere, A.E.J. Hoffman
    Zeolites are an important class of porous, crystalline materials. Their suitability for applications in gas adsorption and catalysis turned them into the workhorses of present-day petrochemical industry. A particularly interesting industrial process... Read more
  32. 18NANO01 / Nanoporous materials - catalysis
    Supervisor(s): V. Van Speybroeck / Counsellor(s): K. De Wispelaere, P. Cnudde, R. Demuynck
    Zeolite-catalyzed hydrocarbon cracking is widely applied in chemical industry for the production of transportation fuels and light olefins. Cracking of less valuable C4-C10 alkene fractions is particularly relevant for both classical petrochemical... Read more
  33. 18MAT05 / Solid-state physics
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): S. Cottenier, S. Claessens / Counsellor(s): N. Van Steenberge, S. De Waele
    High-Entropy Alloys (HEAs) are defined as alloys composed of multiple principal elements, commonly more than five, at near equatomic composition, which tend to form simple crystalline structures such as bcc or fcc. They are the subject of intense... Read more
  34. 18MODEV07 / Model and software development
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): T. Verstraelen / Counsellor(s): M. Cools-Ceuppens
    Molecular crystals consist of a periodic stacking of molecules, bound by weak non-covalent forces: van der Waals, hydrogen bonds, etc. Still, these weak forces are strong enough, such that many molecular crystals are solid at room temperature. (... Read more
  35. 18NANO05 / Nanoporous materials - catalysis
    Clusters: NANO, MATERIALS
    Supervisor(s): J.W. Thybaut, V. Van Speybroeck / Counsellor(s): K. De Wispelaere, M-E. Lissens
    Rapidly declining fossil reserves have urged the exploration of alternative feeds and corresponding routes towards similar chemicals and fuels. Methanol to olefins conversion is such a proven technology which is, at present, operated on the... Read more
  36. 18MODEV13 / Model and software development
    Supervisor(s): D. Fauconnier, T. Verstraelen / Counsellor(s): D. Fauconnier, T. Verstraelen
    Elasto-hydrodynamic lubrication (EHL) is a lubrication regime characterized by a thin liquid film typically in between highly-loaded, non-conformal contacting surfaces in relative motion to each other. The film thickness then reaches the order of... Read more
  37. 18NANO03 / Nanoporous materials - catalysis
    Supervisor(s): V. Van Speybroeck, K. De Wispelaere / Counsellor(s): J. Hajek, P. Cnudde
    Many conversions in acid zeolites occur through carbenium ion intermediates. Alkene oligomerization or cracking and methanol-to-hydrocarbon (MTH) conversion are typical examples of complex conversions in which carbenium ions play a crucial role. The... Read more
  38. 18SPEC07 / Nanoporous materials - catalysis, Spectroscopy
    Clusters: MODELING, MATERIALS, NANO
    Supervisor(s): V. Van Speybroeck, K. Lejaeghere / Counsellor(s): J. Hajek, J. Wieme, S. De Waele
    You might think that little remains to be discovered about silver. It’s a noble metal with a close-packed fcc crystal structure, exhibiting a stacking sequence ABC ABC … along the (111) direction (also called 3C because it is cubic with a 3-element... Read more
  39. 18MODEV11 / Model and software development, Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): A. Lamaire, E. Van den Broeck
    Within the past few decades, the exponential growth of powerful computing resources has attributed to the increasing importance of computational physics, allowing to simulate larger systems at an increasingly higher accuracy. Within the field of... Read more
  40. 18NANO08 / Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S.M.J. Rogge, C. Caratelli
    In recent years, computational modeling has matured to a research field capable of reliably predicting the physicochemical properties of materials at a fraction of the time and economical expenses required to carry out the experiment. The Center for... Read more
  41. 18MAT07 / Solid-state physics
    Clusters: MATERIALS, MODELING, NANO
    Supervisor(s): S. Cottenier, T. Van Hoolst / Counsellor(s): S. De Waele, M. Larmuseau, A. Rivoldini
    The iron-rich region of the Fe-Si phase diagram is of interest both to the planetology community and the materials engineering community. Indeed, the planet Mercury has a solid inner core that consists predominantly of iron, with some nickel, and a... Read more
  42. 18SPEC03 / Spectroscopy
    Clusters: MODELING, MATERIALS, FUNDAMENTALS, NANO
    Supervisor(s): V. Van Speybroeck / Counsellor(s): F. Muniz-Miranda, A. Lamaire
    Electronic transitions are at the basis of a wide range of atomic-scale phenomena. They are intimately linked to processes involving the absorption and emission of light, which in turn impact important application domains such as spectroscopy,... Read more
  43. 18NANO09 / Model and software development, Nanoporous materials - catalysis
    Clusters: NANO, MODELING
    Supervisor(s): V. Van Speybroeck / Counsellor(s): L. Vanduyfhuys
    Nanoporous crystals have attracted a lot of attention in recent literature due to their numerous applications in the field of natural gas storage, carbon capture, drug delivery, chemical catalysis, … A prominent example of such nanoporous crystals... Read more
  44. 18MODEV10 / Model and software development
    Clusters: NANO, MODELING
    Supervisor(s): T. Verstraelen, A. Ghysels / Counsellor(s): T. Verstraelen, A. Ghysels
    Molecular Dynamics (MD) simulations of biological macromolecules are used extensively in academia and commercial research centers to simulate small (nanometer-scale) fragments of living organisms. In such a simulation, the trajectory of each atom... Read more
  45. 18SPEC05 / Nanoporous materials - catalysis, Spectroscopy
    Supervisor(s): V. Van Speybroeck / Counsellor(s): K. De Wispelaere, A.E.J. Hoffman
    The conversion of methanol into hydrocarbons (MTH) or olefins (MTO) received a lot of attention during the last decades as methanol can be produced from natural gas, biomass or coal. The conversion is catalyzed by zeolite or zeotype materials. It... Read more
  46. 18MODEV04 / Model and software development
    Clusters: MODELLING, NANO, METHOD DEVELOPMENT
    Supervisor(s): A. Ghysels / Counsellor(s): O. De Vos
    Mass transport at the molecular scale is of essential importance in physical, chemical and biological processes. In medicine, for instance, nutrients, oxygen or drugs need to diffuse inside the cells passing several lipid membrane barriers. In... Read more